ethyl 2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[6-amino-4-keto-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H14F3N4O3S+ MolecularWeight: 435.39967

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)[N+]3=C(N=C4C=CC(=CC4C3=O)N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)[N+]3=C(N=C4C=CC(=CC4C3=O)N)C(F)(F)F

InChI

InChI=1S/C19H14F3N4O3S/c1-2-29-16(28)9-3-5-13-14(7-9)30-18(25-13)26-15(27)11-8-10(23)4-6-12(11)24-17(26)19(20,21)22/h3-8,11H,2,23H2,1H3/q+1